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Thermophysical property prediction for Acylglycerols
T (C) T (K) Fatty acid chain
Triglyceride (TG) 50 323.15 S S
Diglyceride (DG) 115 388.15 L L
Monoglyceride (MG) 186 5!.15 O
Thermophysical property predi
T (C) T (K) Fatty acid chain
100 3"3.15 #C$%& 'tyric
#C$%& Ca*roic
#C8$%& Ca*rylic
#C1%$%& Ca*ric
#C12$%& +aric
#C1$%& Miristic
#C1$%& ,al-itic
#C1$1& ,al-itoleic
#C18$%& tearic
#C18$1& /leic
#C18$2& +inoleic
#C18$3& +inolenic
#C2%$%& 0rachidic
#C2%$1& Gadoleic#C22$%& 'ehenic
#C22$1& rcic
#C2$%& +ignoceric
,lease in*t thete-*eratre T!"#.
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S
tion for Oil mixture
A$$re%iation &t '# mol'#
(u 0 0
"o 0 0
"p 0 0
" 0 0
L 0 0
) 0 0*0+
, 8*- 10*5.
,o 0 0*0-
S 6*- +*0/
O 5-*/ --*/8
Li -+*. 5+*51
Ln 0 .*-
A + 0*
0 0*18( 0 0*-5
2 0 0*1
Lg 0 0
,lease in*t the 23A"Ta$$re%iationo each attyacid chain (e. +4 M4
,4 4+i4 +n4 etc) in eachacylglycerol co-*ond.ee Tale elo6
asreerence o are7iation.
,lease in*t theco-*osition o eaacid in the oil -it&t'O4mol'4
athe reslts on righon the chosenco-*osition.
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ensity g7m#
*. al7orsen rror (9) :ong rror (9)
Triglyceride (TG) 88*51 ;D%? 885*800 ;D%?
Diglyceride (DG) @0 @0 866*/68 ;D%?
Monoglyceride (MG) @0 @0 85/*-- ;D%?
,rediction $ased on &t' ensity g7m#
*. al7orsen rror (9) :ong rror (9)
Simple T Approach 860*1.8 ;D%? 86.*801 ;D%?
,seudoT Approach 86-*-8 ;D%? @0 @0
,rediction $ased on mol' ensity g7m#
*. al7orsen rror (9) :ong rror (9)
Simple T Approach 86+*8+0 ;D%? 8..*15 ;D%?
,seudoT Approach 861*8+5 ;D%? @0 @0
h attyre ind seeased
,lease in*t thee*eri-ental 7ale o oeach *ro*erty4 i any.
,rediction -ethod yal. is not a**licale toacylglycerols 6ith
+g(+ignoceric acid4 #C2the co-*osition.
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9apor pressure ,a#
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:eat capacity ;7g
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:eat of %apori=ation ;7mol#
rror (9) *. Ceriani rror (9) ,itAer rror (9) 'asaro7a
;D%? -10*6-6 ;D%? -+.*5 ;D%? -+-*0+6
;D%? 11/*/-6 ;D%? 155*081 ;D%? 1-*-06
;D%? 85*5. ;D%? 1+1*1-1 ;D%? 10-*88+
:eat of %apori=ation ;7mol#
rror (9) *. Ceriani rror (9) ,itAer rror (9) 'asaro7a
;D%? 1.5*6+. ;D%? -6*++1 ;D%? --6*+05
1.5*./ -6*+0- --6*+1
:eat of %apori=ation ;7mol#
rror (9) *. Ceriani rror (9) ,itAer rror (9) 'asaro7a
;D%? 1.-*-.8 ;D%? -5*-+ ;D%? --8*.5
;D%? 1.1*/0 -6*00 --8*+-0
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rror (9)
;D%?
;D%?
;D%?
rror (9)
;D%?
rror (9)
;D%?
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Fatty acid co-*osition (6t9) (-ol9)+aric #C12$%& 0*00 0*00
Density (g>c-3)
Miristic #C1$%& 0*00 0*00 %.8"%3
,al-itic #C1$%& 6*50 .*06
,al-itoleic #C1$1& 0*00 0*00
tearic #C18$%& +*/0 +*8-
/leic #C18$1& -0*50 -0*1
+inoleic #C18$2& 68*00 6.*8-
+inolenic #C18$3& 0*00 0*00
0rachidic #C2%$%& 0*00 0*00
Gadoleic #C2%$1& 0*00 0*00
'ehenic #C22$%& 0*00 0*00
rcic #C22$1& 0*00 0*00
+ignoceric #C2$%& 0*00 0*00
,lease in*t theco-*osition o each attyacid in the oil -itre
in
&t'O4mol'4 and seethe reslts on right asedon the
chosenco-*osition.
,lease in*t densitydata o F0Ms to -aBenit o 7iscosity
as(ct).
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,rediction $ased on &t'
9iscosity cSt#*. 0llen et al. rror (9) Ceriani et al.
*/-0 ;D%? *80.
"etane num$er
*. Cle-ents rror (9) Go*inath et al.
+-*86 ;D%? +-*.1
Flash point
*. (K) =T rror (9)
T (C) 1.+*///;D%?
T (K) ++8*1+/
"loud point
*. (C) arin et al. (,0M9) 0D arin et al. (nsatd9)
T (C) 1*5.1.5"3
-*.-1
T (K) -.1*5.. -.0*+-/
,our point
*. (C) arin et al. (,0M9) 0D arin et al. (nsatd9)
T (C) 8*5-/8.52!
/*80.
T (K) -6+*6-- -6*+
"old >o& plugging point
*. (C) arin et al. (,0M9) 0D arin et al. (nsatd9)
T (C) +*50-.5%2
5*68-
T (K) -68*6+/ -6.*+6/
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diction $ased on mol'
9iscosity cSt#*. 0llen et al. rror (9) Ceriani et al. rror
(9)
*/-0 ;D%? *80. ;D%?
"etane num$er
*. Cle-ents rror (9) Go*inath et al. rror (9)
+-*/1 ;D%? ?A
Flash point
=T rror (9)
T (C) 1.5*0+;D%?
T (K) ++8*1/
"loud point
arin et al. (,0M9) 0D arin et al. (nsatd9) 0D
T (C)?A
T (K)
,our point
arin et al. (,0M9) 0D arin et al. (nsatd9) 0D
T (C)?A
T (K)
"old >o& plugging point
arin et al. (,0M9) 0D arin et al. (nsatd9) 0D
T (C)?A
T (K)
Methods or lo6te-*eratre *ro*ertiesare only a**licale to6eight
raction.
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=T rror (9)
+*-5+ ;D%?
Klo*enstein rror (9) =T rror (9)
+8*50/ ;D%? +/*-.0 ;D%?
=T 0D
=T 0D
=T 0D
